4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine

C12H14ClN5 — CID 19135249

IUPAC4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine
SMILESCCNc1ncnc(Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C12H14ClN5/c1-2-15-11-10(14)12(17-7-16-11)18-9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3,(H2,15,16,17,18)
InChIKeyZKTZUJYDZFUYNS-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.89
Rot. Bonds4

About 4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine

4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine (PubChem CID 19135249) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine
PubChem CID19135249
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine
SMILESCCNc1ncnc(Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C12H14ClN5/c1-2-15-11-10(14)12(17-7-16-11)18-9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3,(H2,15,16,17,18)
InChIKeyZKTZUJYDZFUYNS-UHFFFAOYSA-N
XLogP2.89
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(4-chlorophenyl)methyl]-4-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544359
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995
6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148236
4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 19139806
4-N-(3-chloro-4-fluorophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150565
4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80760820
6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19147555
4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine
CID 143942387
6-N-butyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544891
ethane;4-N-ethylpyrimidine-4,5,6-triamine
CID 142869068
4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22544339

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine (CID 19135249) is 4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine is CCNc1ncnc(Nc2ccc(Cl)cc2)c1N.
What is the InChIKey of 4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine?
The InChIKey is ZKTZUJYDZFUYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-2-15-11-10(14)12(17-7-16-11)18-9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine?
4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine has a molecular weight of 263.73 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).